Chem
J-GLOBAL ID：200907057371780604   Nikkaji number：J1.749.027C

1-[4-(4-Pyridinylthio)phenyl]-3-(1-methyl-3-tert-butyl-1H-pyrazole-5-yl)urea

1-[4-(4-ピリジニルチオ)フェニル]-3-(1-メチル-3-tert-ブチル-1H-ピラゾール-5-イル)尿素
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H23N5OS
Molecular formula furigana： C20-H23-N5-O-S
Molecular weight： 381.500
InChI： InChI=1S/C20H23N5OS/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)
InChI key： FDHKHZIFBOZGKU-UHFFFAOYSA-N
SMILES： Cn1nc(cc1NC(=O)Nc1ccc(Sc2ccncc2)cc1)C(C)(C)C
Systematic name  (3)：
  • 1-[4-(4-ピリジニルチオ)フェニル]-3-(1-メチル-3-tert-ブチル-1H-ピラゾール-5-イル)尿素
  • 3-(3-tert-ブチル-1-メチル-1H-ピラゾール-5-イル)-1-[4-(ピリジン-4-イルスルファニル)フェニル]尿素
  • 3-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-1-[4-(pyridin-4-ylsulfanyl)phenyl]urea
Other name (1)：
  • 1-[4-(4-Pyridinylthio)phenyl]-3-(1-methyl-3-tert-butyl-1H-pyrazole-5-yl)urea
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